Geometry & MOs

Info

ID:	72984
PubChem CID:	48416762
Reduced:	O4N5C19H23 (1)
Stoich.:	A4B5C19D23 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-155.7
Dipole, Da:	4.64
IP(EA), eV:	-9.54(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCC(C3)N4CCNC4=O)NC1=O

DOS

IR

Vibrations